N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine

C12H22FNO — CID 126847929

IUPACN-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFC1(CNCC2CCCO2)CCCCC1
InChIInChI=1S/C12H22FNO/c13-12(6-2-1-3-7-12)10-14-9-11-5-4-8-15-11/h11,14H,1-10H2
InChIKeyFQRKOZMGIKQVQA-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.43
Rot. Bonds4

About N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 126847929) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID126847929
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESFC1(CNCC2CCCO2)CCCCC1
InChIInChI=1S/C12H22FNO/c13-12(6-2-1-3-7-12)10-14-9-11-5-4-8-15-11/h11,14H,1-10H2
InChIKeyFQRKOZMGIKQVQA-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine (CID 126847929) is N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine is FC1(CNCC2CCCO2)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is FQRKOZMGIKQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-12(6-2-1-3-7-12)10-14-9-11-5-4-8-15-11/h11,14H,1-10H2.
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 215.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 126847929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).