3-fluoro-3-(oxolan-3-yl)butan-1-amine

C8H16FNO — CID 105431666

IUPAC3-fluoro-3-(oxolan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3
InChIKeyCQAGOTVHPPYHQH-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About 3-fluoro-3-(oxolan-3-yl)butan-1-amine

3-fluoro-3-(oxolan-3-yl)butan-1-amine (PubChem CID 105431666) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxolan-3-yl)butan-1-amine
PubChem CID105431666
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(oxolan-3-yl)butan-1-amine
SMILESCC(F)(CCN)C1CCOC1
InChIInChI=1S/C8H16FNO/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3
InChIKeyCQAGOTVHPPYHQH-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxolan-3-yl)propan-1-amine hydrochloride
CID 45075170
2-(2,2-Dimethyloxolan-3-yl)ethan-1-amine
CID 127010872
3-(Tetrahydrofuran-3-yl)propan-1-amine
CID 5200329
2-[2-(2,2,2-Trifluoroethoxy)ethyl]pentan-1-amine
CID 62505560
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81013544
2-Tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139778
2-Fluoro-3-(oxan-4-yl)propan-1-amine
CID 84021214
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-3-(oxolan-3-yl)butan-1-amine (CID 105431666) is 3-fluoro-3-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxolan-3-yl)butan-1-amine is CC(F)(CCN)C1CCOC1.
What is the InChIKey of 3-fluoro-3-(oxolan-3-yl)butan-1-amine?
The InChIKey is CQAGOTVHPPYHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(9,3-4-10)7-2-5-11-6-7/h7H,2-6,10H2,1H3.
What are the key properties of 3-fluoro-3-(oxolan-3-yl)butan-1-amine?
3-fluoro-3-(oxolan-3-yl)butan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 105431666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).