cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine

C12H22FN — CID 126987822

IUPACcis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine
SMILESCC(C)C1CCC1N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C12H22FN/c1-8(2)9-6-7-11(9)14-12-5-3-4-10(12)13/h8-12,14H,3-7H2,1-2H3/t9?,10-,11?,12+/m0/s1
InChIKeyDGUOXDVDTLBMEW-POSLAHMBSA-N
MW199.31 g/mol
LogP2.90
Rot. Bonds3

About cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine

cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine (PubChem CID 126987822) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine
PubChem CID126987822
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Namecis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine
SMILESCC(C)C1CCC1N[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C12H22FN/c1-8(2)9-6-7-11(9)14-12-5-3-4-10(12)13/h8-12,14H,3-7H2,1-2H3/t9?,10-,11?,12+/m0/s1
InChIKeyDGUOXDVDTLBMEW-POSLAHMBSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine (CID 126987822) is cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine is CC(C)C1CCC1N[C@@H]1CCC[C@@H]1F.
What is the InChIKey of cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine?
The InChIKey is DGUOXDVDTLBMEW-POSLAHMBSA-N. The full InChI is InChI=1S/C12H22FN/c1-8(2)9-6-7-11(9)14-12-5-3-4-10(12)13/h8-12,14H,3-7H2,1-2H3/t9?,10-,11?,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine?
cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-fluoro-N-(2-propan-2-ylcyclobutyl)cyclopentan-1-amine is sourced from PubChem (CID 126987822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).