3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine

C9H18FNO — CID 116500620

IUPAC3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
SMILESCOCCC(C)C1(F)CC(N)C1
InChIInChI=1S/C9H18FNO/c1-7(3-4-12-2)9(10)5-8(11)6-9/h7-8H,3-6,11H2,1-2H3
InChIKeyNQVDBLRZEDIBRS-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine

3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine (PubChem CID 116500620) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
PubChem CID116500620
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine
SMILESCOCCC(C)C1(F)CC(N)C1
InChIInChI=1S/C9H18FNO/c1-7(3-4-12-2)9(10)5-8(11)6-9/h7-8H,3-6,11H2,1-2H3
InChIKeyNQVDBLRZEDIBRS-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
1-(3-Fluorooxetan-3-yl)-4-methylpentan-2-amine
CID 177282035
(2R)-1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
CID 177282042
(2S)-1-(3-fluorooxetan-3-yl)-4-methylpentan-2-amine
CID 177282049
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclobutan-1-amine
CID 81013926
1-Cyclobutyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 103149040
1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215393
4-Cyclobutyl-4-fluoro-5-methoxypentan-1-amine
CID 103392583
4-Fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392585
5-Ethyl-4-fluoro-4-(methoxymethyl)heptan-1-amine
CID 103392649
1-Fluoro-1-(oxan-3-yl)propan-2-amine
CID 105431662

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine (CID 116500620) is 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine is COCCC(C)C1(F)CC(N)C1.
What is the InChIKey of 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine?
The InChIKey is NQVDBLRZEDIBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(3-4-12-2)9(10)5-8(11)6-9/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine?
3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methoxybutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 116500620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).