3-butoxy-2-fluoropropan-1-amine

C7H16FNO — CID 155690317

IUPAC3-butoxy-2-fluoropropan-1-amine
SMILESCCCCOCC(F)CN
InChIInChI=1S/C7H16FNO/c1-2-3-4-10-6-7(8)5-9/h7H,2-6,9H2,1H3
InChIKeySUUKBCCIKPPZAY-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.10
Rot. Bonds6

About 3-butoxy-2-fluoropropan-1-amine

3-butoxy-2-fluoropropan-1-amine (PubChem CID 155690317) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-butoxy-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-butoxy-2-fluoropropan-1-amine
PubChem CID155690317
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-butoxy-2-fluoropropan-1-amine
SMILESCCCCOCC(F)CN
InChIInChI=1S/C7H16FNO/c1-2-3-4-10-6-7(8)5-9/h7H,2-6,9H2,1H3
InChIKeySUUKBCCIKPPZAY-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134
(2R)-1-butoxybutan-2-ol
CID 27255938
1-amino-3-heptoxypropan-2-ol
CID 43128013
(2S)-1-butoxypropan-2-ol
CID 54289557
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
2-(butoxymethyl)pentane-1,5-diamine
CID 14177998
2-fluorohexan-1-amine
CID 55288883
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
2-butoxy-1-chloroethanamine
CID 174226155
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
3-butoxy-2-chloropropanamide
CID 20565963

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-fluoropropan-1-amine?
The IUPAC name of 3-butoxy-2-fluoropropan-1-amine (CID 155690317) is 3-butoxy-2-fluoropropan-1-amine.
What is the SMILES notation for 3-butoxy-2-fluoropropan-1-amine?
The canonical SMILES for 3-butoxy-2-fluoropropan-1-amine is CCCCOCC(F)CN.
What is the InChIKey of 3-butoxy-2-fluoropropan-1-amine?
The InChIKey is SUUKBCCIKPPZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-2-3-4-10-6-7(8)5-9/h7H,2-6,9H2,1H3.
What are the key properties of 3-butoxy-2-fluoropropan-1-amine?
3-butoxy-2-fluoropropan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-fluoropropan-1-amine is sourced from PubChem (CID 155690317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).