1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine

C10H19F2NO — CID 106874363

IUPAC1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine
SMILESCCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C10H19F2NO/c1-3-13-10(9(11)12)6-4-5-8(7-10)14-2/h8-9,13H,3-7H2,1-2H3
InChIKeyLAIUOESPXYKXAK-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds4

About 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine

1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine (PubChem CID 106874363) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine
PubChem CID106874363
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine
SMILESCCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C10H19F2NO/c1-3-13-10(9(11)12)6-4-5-8(7-10)14-2/h8-9,13H,3-7H2,1-2H3
InChIKeyLAIUOESPXYKXAK-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine (CID 106874363) is 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine is CCNC1(C(F)F)CCCC(OC)C1.
What is the InChIKey of 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine?
The InChIKey is LAIUOESPXYKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-13-10(9(11)12)6-4-5-8(7-10)14-2/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine?
1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-ethyl-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106874363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).