N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine

C9H15F2N — CID 106173983

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCC1=CCCC1
InChIInChI=1S/C9H15F2N/c10-9(11)7-12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2
InChIKeyXDTYEWUATONSBA-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine

N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine (PubChem CID 106173983) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine
PubChem CID106173983
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine
SMILESFC(F)CNCCC1=CCCC1
InChIInChI=1S/C9H15F2N/c10-9(11)7-12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2
InChIKeyXDTYEWUATONSBA-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3,3-Trifluoropropylidene)piperidine
CID 66803203
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
CID 143153059
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
CID 146536778
ethane;3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 162764925
(2R)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699458
2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699487
(2S)-2-(difluoromethyl)-5-methyl-2,3,4,7-tetrahydro-1H-azepine
CID 169699489

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine (CID 106173983) is N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine is FC(F)CNCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine?
The InChIKey is XDTYEWUATONSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)7-12-6-5-8-3-1-2-4-8/h3,9,12H,1-2,4-7H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine has a molecular weight of 175.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroethanamine is sourced from PubChem (CID 106173983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).