[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine

C14H23F2N — CID 162570091

IUPAC[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine
SMILESNCC1(C=C2CCC(F)(F)CC2)CCCCC1
InChIInChI=1S/C14H23F2N/c15-14(16)8-4-12(5-9-14)10-13(11-17)6-2-1-3-7-13/h10H,1-9,11,17H2
InChIKeyWWHNNYGLNQVQFJ-UHFFFAOYSA-N
MW243.34 g/mol
LogP4.03
Rot. Bonds2

About [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine

[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine (PubChem CID 162570091) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine
PubChem CID162570091
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine
SMILESNCC1(C=C2CCC(F)(F)CC2)CCCCC1
InChIInChI=1S/C14H23F2N/c15-14(16)8-4-12(5-9-14)10-13(11-17)6-2-1-3-7-13/h10H,1-9,11,17H2
InChIKeyWWHNNYGLNQVQFJ-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethylidene)-1,1-difluorocyclohexane
CID 165450649
1-ethenyl-1-(methylsulfanylmethyl)cyclooctane
CID 123995657
1-[(3,3-difluorocyclobutyl)methyl]cyclohexane-1-carbaldehyde
CID 130689903
[1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclohexyl]methanamine
CID 117113496
4-[(4,4-difluorocyclohexylidene)methyl]morpholine
CID 168976100
1-(aminomethyl)-N,N-dihydroxycyclooctan-1-amine
CID 23318253
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103970120
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
(1-methylcyclooctyl)methanamine
CID 80603984
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
cobalt;1,1-difluorocyclopropane
CID 143921033
5,5-difluorocyclooctan-1-one
CID 139801373

Frequently Asked Questions

What is the IUPAC name of [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine (CID 162570091) is [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine is NCC1(C=C2CCC(F)(F)CC2)CCCCC1.
What is the InChIKey of [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine?
The InChIKey is WWHNNYGLNQVQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c15-14(16)8-4-12(5-9-14)10-13(11-17)6-2-1-3-7-13/h10H,1-9,11,17H2.
What are the key properties of [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine?
[1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine has a molecular weight of 243.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,4-difluorocyclohexylidene)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 162570091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).