N-tert-butyl-4,4-difluorocyclohexan-1-amine

C10H19F2N — CID 89474959

IUPACN-tert-butyl-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2,3)13-8-4-6-10(11,12)7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyNXASBCOKWKXOSQ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.95
Rot. Bonds1

About N-tert-butyl-4,4-difluorocyclohexan-1-amine

N-tert-butyl-4,4-difluorocyclohexan-1-amine (PubChem CID 89474959) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is N-tert-butyl-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-difluorocyclohexan-1-amine
PubChem CID89474959
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC NameN-tert-butyl-4,4-difluorocyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H19F2N/c1-9(2,3)13-8-4-6-10(11,12)7-5-8/h8,13H,4-7H2,1-3H3
InChIKeyNXASBCOKWKXOSQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4,4-difluorocyclohexan-1-amine (CID 89474959) is N-tert-butyl-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4,4-difluorocyclohexan-1-amine is CC(C)(C)NC1CCC(F)(F)CC1.
What is the InChIKey of N-tert-butyl-4,4-difluorocyclohexan-1-amine?
The InChIKey is NXASBCOKWKXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2,3)13-8-4-6-10(11,12)7-5-8/h8,13H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-4,4-difluorocyclohexan-1-amine?
N-tert-butyl-4,4-difluorocyclohexan-1-amine has a molecular weight of 191.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 89474959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).