(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene

C10H14F2 — CID 11052100

IUPAC(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)C(F)(F)C1
InChIInChI=1S/C10H14F2/c1-7(2)9-5-4-8(3)10(11,12)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
InChIKeyHJCBBPROBXFYGS-SECBINFHSA-N
MW172.22 g/mol
LogP3.55
Rot. Bonds1

About (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene

(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 11052100) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID11052100
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)C(F)(F)C1
InChIInChI=1S/C10H14F2/c1-7(2)9-5-4-8(3)10(11,12)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
InChIKeyHJCBBPROBXFYGS-SECBINFHSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,5R)-1,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]acetic acid
CID 15433129
(1S,5R)-2-methyl-5-prop-1-en-2-yl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclohex-2-en-1-ol
CID 10707751
(5R)-1-diphenylphosphoryl-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carbaldehyde
CID 101097545
methyl 2-(2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-en-1-yl)propanoate
CID 101202530
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656
(4aR,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 59882806
(4S,4aS,6S)-4a-(fluoromethyl)-4-methyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 102286380
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
CID 154157892
[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 102093569

Frequently Asked Questions

What is the IUPAC name of (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 11052100) is (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1CC=C(C)C(F)(F)C1.
What is the InChIKey of (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is HJCBBPROBXFYGS-SECBINFHSA-N. The full InChI is InChI=1S/C10H14F2/c1-7(2)9-5-4-8(3)10(11,12)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1.
What are the key properties of (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 172.22 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,6-difluoro-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11052100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).