cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine

C10H17F2N — CID 144507428

IUPACcis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine
SMILESC=CC(F)(F)CN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C10H17F2N/c1-3-10(11,12)7-13-9-5-4-8(2)6-9/h3,8-9,13H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyIPNKKHOAYKCLRO-DTWKUNHWSA-N
MW189.25 g/mol
LogP2.59
Rot. Bonds4

About cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine

cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine (PubChem CID 144507428) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine
PubChem CID144507428
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Namecis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine
SMILESC=CC(F)(F)CN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C10H17F2N/c1-3-10(11,12)7-13-9-5-4-8(2)6-9/h3,8-9,13H,1,4-7H2,2H3/t8-,9+/m0/s1
InChIKeyIPNKKHOAYKCLRO-DTWKUNHWSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine
CID 123632571
3-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine;molecular hydrogen
CID 144220693
ethane;3-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 144507225
4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
CID 166059860
N-but-3-enyl-4-fluoro-2-methylcyclopentan-1-amine
CID 166995828
3-methyl-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 64499261
3-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 79038990
N-(1,1-difluoropropan-2-yl)-3-methylcyclopentan-1-amine
CID 102870153
3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
CID 104860312
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
2-[(3,3-difluorocyclopentyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 114225153
3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine
CID 114543830

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine (CID 144507428) is cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine is C=CC(F)(F)CN[C@@H]1CC[C@H](C)C1.
What is the InChIKey of cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine?
The InChIKey is IPNKKHOAYKCLRO-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-10(11,12)7-13-9-5-4-8(2)6-9/h3,8-9,13H,1,4-7H2,2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine?
cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine has a molecular weight of 189.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-(2,2-difluorobut-3-enyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 144507428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).