1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine

C11H21F2NO — CID 106874365

IUPAC1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C11H21F2NO/c1-3-7-14-11(10(12)13)6-4-5-9(8-11)15-2/h9-10,14H,3-8H2,1-2H3
InChIKeySRUSWQXLMVXDTA-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.58
Rot. Bonds5

About 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine

1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine (PubChem CID 106874365) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine
PubChem CID106874365
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine
SMILESCCCNC1(C(F)F)CCCC(OC)C1
InChIInChI=1S/C11H21F2NO/c1-3-7-14-11(10(12)13)6-4-5-9(8-11)15-2/h9-10,14H,3-8H2,1-2H3
InChIKeySRUSWQXLMVXDTA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine (CID 106874365) is 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine is CCCNC1(C(F)F)CCCC(OC)C1.
What is the InChIKey of 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine?
The InChIKey is SRUSWQXLMVXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-3-7-14-11(10(12)13)6-4-5-9(8-11)15-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine?
1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methoxy-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106874365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).