(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol

C9H12ClFO — CID 89090716

IUPAC(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\CCl)CC(O)C[C@@H]1F
InChIInChI=1S/C9H12ClFO/c1-6-7(2-3-10)4-8(12)5-9(6)11/h2,8-9,12H,1,3-5H2/b7-2-/t8?,9-/m0/s1
InChIKeyMKMRONONGFFFDI-NCKGKUFZSA-N
MW190.64 g/mol
LogP2.20
Rot. Bonds1

About (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol

(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol (PubChem CID 89090716) has the molecular formula C9H12ClFO and a molecular weight of 190.64 g/mol. Its IUPAC name is (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
PubChem CID89090716
Molecular FormulaC9H12ClFO
Molecular Weight190.64 g/mol
Exact Mass190.06
IUPAC Name(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\CCl)CC(O)C[C@@H]1F
InChIInChI=1S/C9H12ClFO/c1-6-7(2-3-10)4-8(12)5-9(6)11/h2,8-9,12H,1,3-5H2/b7-2-/t8?,9-/m0/s1
InChIKeyMKMRONONGFFFDI-NCKGKUFZSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1R,3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11243654
cis-(1Z,3S,5R)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane
CID 59964397
(2E)-2-[(3S,5S)-3,5-dimethyl-2-methylidenecyclohexylidene]ethanol;trans-(1E,3S,5S)-1-(2-chloroethylidene)-3,5-dimethyl-2-methylidenecyclohexane
CID 159399391
(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
CID 88564570
(2E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
CID 14483735
(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
CID 59883743
6-[(1R,7aR)-4-[(2Z)-2-[(3R,5R)-3-fluoro-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,6,10-trimethylundecane-2,10-diol
CID 87495972
(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
CID 21343832
(3R,6R)-6-[(1R,7aR)-4-[2-[(3S,5R)-3-fluoro-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
CID 54565226
(1S,3Z)-4-methylidene-3-(2-phosphanylethylidene)cyclohexan-1-ol
CID 131966555
[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethyl]phosphane
CID 143208881
2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol
CID 91430722

Frequently Asked Questions

What is the IUPAC name of (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol?
The IUPAC name of (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol (CID 89090716) is (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol?
The canonical SMILES for (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol is C=C1/C(=C\CCl)CC(O)C[C@@H]1F.
What is the InChIKey of (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol?
The InChIKey is MKMRONONGFFFDI-NCKGKUFZSA-N. The full InChI is InChI=1S/C9H12ClFO/c1-6-7(2-3-10)4-8(12)5-9(6)11/h2,8-9,12H,1,3-5H2/b7-2-/t8?,9-/m0/s1.
What are the key properties of (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol?
(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol has a molecular weight of 190.64 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 89090716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).