cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol

C14H18FNO — CID 101116786

IUPACcis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/N=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-9,12,14,17H,1-4,10H2/b16-9+/t12-,14+/m1/s1
InChIKeyDUNMXUZIKQAKSP-YFQHGYJUSA-N
MW235.30 g/mol
LogP2.80
Rot. Bonds3

About cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol

cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol (PubChem CID 101116786) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol
PubChem CID101116786
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Namecis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1C/N=C/c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-9,12,14,17H,1-4,10H2/b16-9+/t12-,14+/m1/s1
InChIKeyDUNMXUZIKQAKSP-YFQHGYJUSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol (CID 101116786) is cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1C/N=C/c1ccc(F)cc1.
What is the InChIKey of cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol?
The InChIKey is DUNMXUZIKQAKSP-YFQHGYJUSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h5-9,12,14,17H,1-4,10H2/b16-9+/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol has a molecular weight of 235.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(4-fluorophenyl)methylideneamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 101116786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).