3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine

C14H26FNO — CID 114624520

IUPAC3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
SMILESCC1(C)CC(C2(F)CCCC(N)C2)C(C)(C)O1
InChIInChI=1S/C14H26FNO/c1-12(2)9-11(13(3,4)17-12)14(15)7-5-6-10(16)8-14/h10-11H,5-9,16H2,1-4H3
InChIKeyDRYHYMSCWUPMFH-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.19
Rot. Bonds1

About 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine

3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine (PubChem CID 114624520) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
PubChem CID114624520
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
SMILESCC1(C)CC(C2(F)CCCC(N)C2)C(C)(C)O1
InChIInChI=1S/C14H26FNO/c1-12(2)9-11(13(3,4)17-12)14(15)7-5-6-10(16)8-14/h10-11H,5-9,16H2,1-4H3
InChIKeyDRYHYMSCWUPMFH-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine (CID 114624520) is 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine is CC1(C)CC(C2(F)CCCC(N)C2)C(C)(C)O1.
What is the InChIKey of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
The InChIKey is DRYHYMSCWUPMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-12(2)9-11(13(3,4)17-12)14(15)7-5-6-10(16)8-14/h10-11H,5-9,16H2,1-4H3.
What are the key properties of 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine?
3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 114624520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).