4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine

C10H19FN2 — CID 112562456

IUPAC4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine
SMILESNC1CCC(F)(C2CCCN2)CC1
InChIInChI=1S/C10H19FN2/c11-10(9-2-1-7-13-9)5-3-8(12)4-6-10/h8-9,13H,1-7,12H2
InChIKeySTXRGYVUDXCHAI-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.35
Rot. Bonds1

About 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine

4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 112562456) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID112562456
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine
SMILESNC1CCC(F)(C2CCCN2)CC1
InChIInChI=1S/C10H19FN2/c11-10(9-2-1-7-13-9)5-3-8(12)4-6-10/h8-9,13H,1-7,12H2
InChIKeySTXRGYVUDXCHAI-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-pyrrolidin-2-ylcyclobutan-1-amine
CID 112564111
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
3-fluoro-3-(4-methylpiperidin-2-yl)cyclohexan-1-amine
CID 112567586
4-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-amine
CID 112562280
3-[(2R)-pyrrolidin-2-yl]oxetan-3-ol
CID 125461843
cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid
CID 158015012
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
4-pyrrolidin-2-ylcyclohexan-1-amine
CID 83262531
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine (CID 112562456) is 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine is NC1CCC(F)(C2CCCN2)CC1.
What is the InChIKey of 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is STXRGYVUDXCHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-10(9-2-1-7-13-9)5-3-8(12)4-6-10/h8-9,13H,1-7,12H2.
What are the key properties of 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine?
4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 186.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 112562456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).