3-fluoropropyl(2-hydroxyethyl)carbamic acid

C6H12FNO3 — CID 134211586

IUPAC3-fluoropropyl(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCCF
InChIInChI=1S/C6H12FNO3/c7-2-1-3-8(4-5-9)6(10)11/h9H,1-5H2,(H,10,11)
InChIKeyUQZWEWQDGOYRCZ-UHFFFAOYSA-N
MW165.16 g/mol
LogP0.32
Rot. Bonds5

About 3-fluoropropyl(2-hydroxyethyl)carbamic acid

3-fluoropropyl(2-hydroxyethyl)carbamic acid (PubChem CID 134211586) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-fluoropropyl(2-hydroxyethyl)carbamic acid.

Molecular Properties

Compound Name3-fluoropropyl(2-hydroxyethyl)carbamic acid
PubChem CID134211586
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name3-fluoropropyl(2-hydroxyethyl)carbamic acid
SMILESO=C(O)N(CCO)CCCF
InChIInChI=1S/C6H12FNO3/c7-2-1-3-8(4-5-9)6(10)11/h9H,1-5H2,(H,10,11)
InChIKeyUQZWEWQDGOYRCZ-UHFFFAOYSA-N
XLogP0.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(2-hydroxyethyl) carbamic acid
CID 15795359
2-Fluoroethyl(2-hydroxyethyl)carbamic acid
CID 87645973
Carboxy-(2-fluoroethyl)-(2-methoxyethyl)-methylazanium
CID 124102612
2-Fluoroethyl(2-methoxyethyl)carbamic acid
CID 124102634
3-Fluoropropyl(1-hydroxyethyl)carbamic acid
CID 134211585
2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
CID 174219308
2,2,2-trifluoroethyl N-(2-hydroxyethyl)-N-propylcarbamate
CID 61068655
methyl N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 103915601
methyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107479090
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)formamide
CID 143045920
Bis(2-hydroxypropyl)carbamic acid
CID 13760268
N,N-bis(2-hydroxyethyl)carbamate
CID 19101499

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl(2-hydroxyethyl)carbamic acid?
The IUPAC name of 3-fluoropropyl(2-hydroxyethyl)carbamic acid (CID 134211586) is 3-fluoropropyl(2-hydroxyethyl)carbamic acid.
What is the SMILES notation for 3-fluoropropyl(2-hydroxyethyl)carbamic acid?
The canonical SMILES for 3-fluoropropyl(2-hydroxyethyl)carbamic acid is O=C(O)N(CCO)CCCF.
What is the InChIKey of 3-fluoropropyl(2-hydroxyethyl)carbamic acid?
The InChIKey is UQZWEWQDGOYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3/c7-2-1-3-8(4-5-9)6(10)11/h9H,1-5H2,(H,10,11).
What are the key properties of 3-fluoropropyl(2-hydroxyethyl)carbamic acid?
3-fluoropropyl(2-hydroxyethyl)carbamic acid has a molecular weight of 165.16 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl(2-hydroxyethyl)carbamic acid is sourced from PubChem (CID 134211586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).