N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine

C10H14F3N — CID 106212502

IUPACN-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine
SMILESFC(F)(F)C1(NC2C=CCCC2)CC1
InChIInChI=1S/C10H14F3N/c11-10(12,13)9(6-7-9)14-8-4-2-1-3-5-8/h2,4,8,14H,1,3,5-7H2
InChIKeyPCRLRFJBAGJKRG-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.78
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine

N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine (PubChem CID 106212502) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine
PubChem CID106212502
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine
SMILESFC(F)(F)C1(NC2C=CCCC2)CC1
InChIInChI=1S/C10H14F3N/c11-10(12,13)9(6-7-9)14-8-4-2-1-3-5-8/h2,4,8,14H,1,3,5-7H2
InChIKeyPCRLRFJBAGJKRG-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine (CID 106212502) is N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine is FC(F)(F)C1(NC2C=CCCC2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine?
The InChIKey is PCRLRFJBAGJKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c11-10(12,13)9(6-7-9)14-8-4-2-1-3-5-8/h2,4,8,14H,1,3,5-7H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine?
N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine has a molecular weight of 205.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 106212502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).