1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine

C12H23F2NO — CID 103148877

IUPAC1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCCCC1
InChIInChI=1S/C12H23F2NO/c13-12(14)9-16-7-6-11(15)8-10-4-2-1-3-5-10/h10-12H,1-9,15H2
InChIKeyYIYPLSUAQDMTRX-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.96
Rot. Bonds7

About 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine

1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine (PubChem CID 103148877) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine
PubChem CID103148877
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)F)CC1CCCCC1
InChIInChI=1S/C12H23F2NO/c13-12(14)9-16-7-6-11(15)8-10-4-2-1-3-5-10/h10-12H,1-9,15H2
InChIKeyYIYPLSUAQDMTRX-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-(3,3-Difluoropropoxymethyl)cyclohexan-1-amine
CID 118523703
4-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 126566213
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine (CID 103148877) is 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine is NC(CCOCC(F)F)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine?
The InChIKey is YIYPLSUAQDMTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c13-12(14)9-16-7-6-11(15)8-10-4-2-1-3-5-10/h10-12H,1-9,15H2.
What are the key properties of 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine?
1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine has a molecular weight of 235.32 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).