N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine

C10H17ClF3N — CID 65024571

IUPACN-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CCCCC1Cl
InChIInChI=1S/C10H17ClF3N/c11-9-4-2-1-3-8(9)7-15-6-5-10(12,13)14/h8-9,15H,1-7H2
InChIKeyKRWKJDHXUSRUTQ-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.33
Rot. Bonds4

About N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 65024571) has the molecular formula C10H17ClF3N and a molecular weight of 243.70 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID65024571
Molecular FormulaC10H17ClF3N
Molecular Weight243.70 g/mol
Exact Mass243.10
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCC1CCCCC1Cl
InChIInChI=1S/C10H17ClF3N/c11-9-4-2-1-3-8(9)7-15-6-5-10(12,13)14/h8-9,15H,1-7H2
InChIKeyKRWKJDHXUSRUTQ-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 65024517
1-(chloromethyl)-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 65024555
1-(chloromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65024773
N-[(2-chlorocyclohexyl)methyl]-2,2,2-trifluoroethanamine
CID 65024786
1-(chloromethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65024933
N-[(2-chlorocyclohexyl)methyl]-2,2-difluoroethanamine
CID 65025224
1-(chloromethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65029728
1-(chloromethyl)-N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
CID 65029856
1-(chloromethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030082
1-(chloromethyl)-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65030191
1-(chloromethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 65030248
1-(chloromethyl)-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030476

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine (CID 65024571) is N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is KRWKJDHXUSRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3N/c11-9-4-2-1-3-8(9)7-15-6-5-10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 243.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 65024571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).