1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine

C10H16F3N — CID 130529098

IUPAC1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine
SMILESNC(C1CCC1)(C1CCC1)C(F)(F)F
InChIInChI=1S/C10H16F3N/c11-10(12,13)9(14,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,14H2
InChIKeyWNHPIINIEWEHMX-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.85
Rot. Bonds2

About 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine

1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine (PubChem CID 130529098) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine
PubChem CID130529098
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine
SMILESNC(C1CCC1)(C1CCC1)C(F)(F)F
InChIInChI=1S/C10H16F3N/c11-10(12,13)9(14,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,14H2
InChIKeyWNHPIINIEWEHMX-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclobutyl-2-fluoropropane-1,3-diamine;dihydrochloride
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(1,1-difluoro-2,2-dimethylpropyl)cyclobutane
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4-(trifluoromethyl)cycloheptan-1-amine
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ethyl 2-amino-2-cyclobutyl-3,3,3-trifluoropropanoate;hydrochloride
CID 122163980
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
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3-[cyclobutyl(difluoro)methyl]piperidine
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(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine (CID 130529098) is 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine is NC(C1CCC1)(C1CCC1)C(F)(F)F.
What is the InChIKey of 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine?
The InChIKey is WNHPIINIEWEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)9(14,7-3-1-4-7)8-5-2-6-8/h7-8H,1-6,14H2.
What are the key properties of 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine?
1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine has a molecular weight of 207.24 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 130529098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).